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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2026	/AsMoW As01Mo09W03O40-2H-iso-131846400	Buils, Jordi	ADF; 2019; 304	Geometry optimization	PBE	TZP	-16.23886085; Eh
	26-Nov-2025	/sulfate_proj/Cu/111/SO4/TT/lsolvf lsolvf	Panja, Suraj	vasp; 5.3.3; 18Dez12 (build Jun 22 2017 15:26:47) complex	Single point	DFT	-	-321.14571289; eV
	26-Nov-2025	/sulfate_proj/Cu/111/SO4/TT/freq freq	Panja, Suraj	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-
	16-Jan-2026	/FG_dataset/group3N/rh/111 rh-4bN2-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-420.75128934; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_022 disp_022	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.83734430; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_024 disp_024	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.83743897; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_026 disp_026	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.83696634; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_021 disp_021	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.83708612; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_023 disp_023	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.83784029; eV
	2-Jul-2025	/Bulk_structure/pourbaix_diagram/H2WO4/phonopy/disp_025 disp_025	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-77009.83817822; eV

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